| SpectraBase Compound ID | B44IK17OemY |
|---|---|
| InChI | InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-4-6-10(12)7-5-9/h4-8H,1-3H3 |
| InChIKey | XMBDJBGDUKIOFM-UHFFFAOYSA-N |
| Mol Weight | 211.69 g/mol |
| Molecular Formula | C11H14ClNO |
| Exact Mass | 211.076392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2NC6RFNSmFt |
|---|---|
| Name | 4-Chloro-N,N-dimethylcathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.076391774 u |
| Formula | C11H14ClNO |
| InChI | InChI=1S/C11H14ClNO/c1-8(13(2)3)11(14)9-4-6-10(12)7-5-9/h4-8H,1-3H3 |
| InChIKey | XMBDJBGDUKIOFM-UHFFFAOYSA-N |
| Molecular Weight | 211.692 g/mol |
| SMILES | C1=CC(=CC=C1C(C(N(C)C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923693 |